SCHEMBL24445574

SCHEMBL24445574

Cn1cc(CC(N)C(N)=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GPR84 Q9NQS5 1/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ ARG1 P05089 1/20 0.47
▸ IDO1 P14902 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19231794 1.00 SCN9A (0.57) SCN9AALDH1A1MAPTRECQLGPR84
1-Methyltryptophan SCHEMBL19992 0.88 MAPT (0.71) SCN9AALDH1A1MAPTRECQLGPR84
(L)-1-Methyltryptophan SCHEMBL19993 0.88 MAPT (0.71) SCN9AALDH1A1MAPTRECQLGPR84
Indoximod SCHEMBL934800 0.88 MAPT (0.71) SCN9AALDH1A1MAPTRECQLGPR84
Indoximod SCHEMBL29349777 0.88 MAPT (0.71) SCN9AALDH1A1MAPTRECQLGPR84
1-Methyltryptophan SCHEMBL14202956 0.88 MAPT (0.71) SCN9AALDH1A1MAPTRECQLGPR84
SCHEMBL19846989 0.88 ALDH1A1 (0.56) ALDH1A1MAPTRECQLGPR84HTR2A
SCHEMBL14338216 0.88 ALDH1A1 (0.56) ALDH1A1MAPTRECQLGPR84HTR2A
SCHEMBL17306338 0.88 ALDH1A1 (0.56) ALDH1A1MAPTRECQLGPR84HTR2A
Indoximod SCHEMBL23668055 0.87 MAPT (0.69) SCN9AALDH1A1MAPTRECQLGPR84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613420-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2022-05-25 — — EP disclosed
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